SCHEMBL25845606

SCHEMBL25845606

COC(=O)CC1(c2ccc(OCc3cc(F)cc4c3OCO4)cc2)OCCO1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
FFAR4 Q5NUL3 4/20 0.35
MAOB P27338 1/20 0.34
MAPT P10636 2/20 0.34
EDNRB P24530 3/20 0.33
EDNRA P25101 3/20 0.33
PTGER4 P35408 1/20 0.33
ERBB2 P04626 1/20 0.33
EPHA2 P29317 1/20 0.33
EPHB4 P54760 1/20 0.33
MMP1 P03956 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25846319 0.89 FFAR4 (0.38) NPC1RAB9AALDH1A1GAAKMT2A
SCHEMBL25845591 0.77 RAB9A (0.37) NPC1RAB9AALDH1A1GAAKMT2A
SCHEMBL25845336 0.72 FFAR1 (0.47)
SCHEMBL25845325 0.72 FFAR1 (0.47)
SCHEMBL25845234 0.71 ESRRB (0.38) ALDH1A1GAAKMT2AKDM4EMAPT
SCHEMBL25845572 0.71 PPARD (0.45)
SCHEMBL25846310 0.71 PTGER4 (0.38) NPC1RAB9AALDH1A1GAAKMT2A
SCHEMBL25845380 0.68 FFAR1 (0.49)
SCHEMBL25845812 0.67 CD274 (0.40) NPC1RAB9AMAOB
SCHEMBL20926920 0.67 GAA (0.42) RAB9AALDH1A1GAAKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
EP-4212528-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-07-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF GPR55, GPR65, GPR4 NPC1 1707/4885RAB9A 2600/4885ALDH1A1 1764/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.